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2-Chloro-6-benzylamino-9-[1-(2,6-difluorobenzyl)-1H-1,2,3-triazol-4-yl-methyl]purine
SpectraBase Compound ID 2N2qilzVg2S
InChI InChI=1S/C22H17ClF2N8/c23-22-28-20(26-9-14-5-2-1-3-6-14)19-21(29-22)32(13-27-19)10-15-11-33(31-30-15)12-16-17(24)7-4-8-18(16)25/h1-8,11,13H,9-10,12H2,(H,26,28,29)
InChIKey LTCQYAUTMATPDR-UHFFFAOYSA-N
Mol Weight 466.88 g/mol
Molecular Formula C22H17ClF2N8
Exact Mass 466.123277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJiyCMs1g6T
Name 2-Chloro-6-benzylamino-9-[1-(2,6-difluorobenzyl)-1H-1,2,3-triazol-4-yl-methyl]purine
Appearance Off white solid
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Formula C22H17ClF2N8
InChI InChI=1S/C22H17ClF2N8/c23-22-28-20(26-9-14-5-2-1-3-6-14)19-21(29-22)32(13-27-19)10-15-11-33(31-30-15)12-16-17(24)7-4-8-18(16)25/h1-8,11,13H,9-10,12H2,(H,26,28,29)
InChIKey LTCQYAUTMATPDR-UHFFFAOYSA-N
Instrument Name Hewlett Packard HPs 5890 GCMS
Ionization Type EI
Molecular Weight 466.884 g/mol
SMILES N(c1nc(nc2[n](cnc12)Cc1nn[n](Cc2c(F)cccc2F)c1)Cl)Cc1ccccc1
SPLASH splash10-05r3-6960800000-0f625c3b95242bae72a7
Source of Spectrum WO2012051296A2
Wiley ID 1845380